The application of hierarchical cluster analysis to the selection of isomorphous crystals

Much more accurate anomalous signal and greater success in substructure determination can be obtained by merging data from multiple crystals preselected according to the results of cluster analysis.

Structure–function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans

D. radiodurans AlkA consists of only two domains instead of three as for E. coli AlkA. This structural modification alters the substrate specificity which may contribute to an improved DNA-repair repertoire of this extreme radiation resistant organism.

Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness

A bond-distance analysis to determine the protonation states of ionizable amino acids has been made for trypsin at 1.2 Å resolution, subtilisin at 1.26 Å resolution and lysozyme at 0.65 Å resolution. This was effective for Asp and Glu but not for His.